6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine

C15H14N4O2S2 — CID 167562711

IUPAC6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cncc(NCc3nccs3)n2)cc1
InChIInChI=1S/C15H14N4O2S2/c1-23(20,21)12-4-2-11(3-5-12)13-8-16-9-14(19-13)18-10-15-17-6-7-22-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyJCFIOMAOCVOFDF-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.62
Rot. Bonds5

About 6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine

6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine (PubChem CID 167562711) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine
PubChem CID167562711
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC Name6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cncc(NCc3nccs3)n2)cc1
InChIInChI=1S/C15H14N4O2S2/c1-23(20,21)12-4-2-11(3-5-12)13-8-16-9-14(19-13)18-10-15-17-6-7-22-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyJCFIOMAOCVOFDF-UHFFFAOYSA-N
XLogP2.62
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole
CID 167559020
6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 66451239
3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-5-amine
CID 167635192
2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine
CID 167542082
3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 130206353
6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid
CID 77089426
2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61283283
2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine
CID 167576117
N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine
CID 47280586
2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine
CID 167640304
N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
CID 61285050
2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine
CID 167564562

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine?
The IUPAC name of 6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine (CID 167562711) is 6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine is CS(=O)(=O)c1ccc(-c2cncc(NCc3nccs3)n2)cc1.
What is the InChIKey of 6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine?
The InChIKey is JCFIOMAOCVOFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-23(20,21)12-4-2-11(3-5-12)13-8-16-9-14(19-13)18-10-15-17-6-7-22-15/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine?
6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine has a molecular weight of 346.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 167562711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).